2-chloranyl-5-(cyanomethyl)-3,6-diethyl-benzenecarbonitrile

Systemtic Name: 2-chloranyl-5-(cyanomethyl)-3,6-diethyl-benzenecarbonitrile Openeye Name: 2-chloro-5-(cyanomethyl)-3,6-diethyl-benzonitrile CAS Name: 2-chloro-5-(cyanomethyl)-3,6-diethylbenzonitrile IUPAC Name: 2-chloro-5-(cyanomethyl)-3,6-diethylbenzonitrile Traditional Name: 2-chloro-5-(cyanomethyl)-3,6-diethyl-benzonitrile Formula: C13H13ClN2 MolecularWeight: 232.70872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1)CC#N)CC)C#N)Cl

Isomeric SMILES

CCC1=C(C(=C(C(=C1)CC#N)CC)C#N)Cl

InChI

InChI=1S/C13H13ClN2/c1-3-9-7-10(5-6-15)11(4-2)12(8-16)13(9)14/h7H,3-5H2,1-2H3